SCHEMBL6540106

SCHEMBL6540106

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
STS P08842 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
CA2 P00918 4/20 0.48
CA1 P00915 3/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6539692 1.00 KMT2A (0.50) KMT2AGAAMEN1STSLMNA
SCHEMBL2232390 0.90 LMNA (0.59) KMT2ASTSLMNACYP1A2CYP3A4
SCHEMBL6540991 0.89 CA2 (0.53) LMNACYP1A2CYP3A4CA2ALDH1A1
SCHEMBL6540683 0.86 CA2 (0.40) KMT2AGAAMEN1LMNACA2
SCHEMBL9467853 0.86 CYP1A2 (0.54) KMT2AMEN1STSLMNACYP1A2
SCHEMBL6804596 0.86 CA2 (0.50) CA2CA1CA12CA9
SCHEMBL6809995 0.85 CA2 (0.49) CA2CA1POLBHPGDCA12
SCHEMBL6677489 0.85 ALDH1A1 (0.47) KMT2AGAAMEN1LMNACA2
SCHEMBL6810119 0.84 CA2 (0.48) KMT2AMEN1LMNACA2CA1
SCHEMBL9417503 0.84 KMT2A (0.66) KMT2AGAAMEN1STSLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 KMT2A 432/4885GAA 3888/4885MEN1 4140/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 KMT2A 505/4885GAA 3654/4885MEN1 4031/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.